Artocarpesin

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  • Identifiers

    CAS number
    3162-09-2

    Molecular formula
    C20H18O6

    SMILES
    CC(=CCC1=C(C2=C(C=C1O)OC(=CC2=O)C3=C(C=C(C=C3)O)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 56.78%
    Odorless 39.47%
    Spicy 34.18%
    Burnt 30.53%
    Medicinal 28.08%
    Smoky 27.77%
    Woody 27.01%
    Animal 22.77%
    Dry 22.6%
    Fruity 22.29%

     

    Flavor
    Bitter 92.57%
    Odorless 22.57%
    Cedarleaf 20.97%
    Parsley 20.08%
    Lovage 20.02%
    Nitrile 19.57%
    Sweet-like 19.29%
    Bland 19.26%
    Very strong 19.16%
    Ripe apricot 19.03%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    10.39 (weak base)

    Molecular weight
    354.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    842°C

    Melting point expt.

    • 275 - 276 °C

    Flash point

    • 256.13 ˚C est.

  • Synonyms

    • Artocarpesin
    • 3162-09-2
    • 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one
    • YLX5QUY8JU
    • 2',4',5,7-Tetrahydroxy-6-(3-methyl-2-butenyl)flavone
    • DTXSID30327994
    • 5,7,2',4'-tetrahydroxy-6-(3-methylbut-3-enyl)flavone
    • RefChem:114339
    • DTXCID70279105
    • UNII-YLX5QUY8JU
    • CHEMBL1915458
    • Flavone, 2',4',5,7-tetrahydroxy-6-(3-methyl-2-butenyl)-
    • 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-buten-1-yl)-
    • NSC710343
    • 2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
    • orb1991664
    • SCHEMBL27013441
    • SCHEMBL30637443
    • CHEBI:175537
    • BDBM50358100
    • HY-N15272
    • LMPK12110892
    • NSC-710343
    • NCI60_038828
    • Flavone,4',5,7-tetrahydroxy-6-(3-methyl-2-butenyl)-
    • 2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 9CI
    • 2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-4H-1-benzopyran-4-one
    • 4H-1-Benzopyran-4-one,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-
    • 3162-09-2

  • Applications

    Artocarpesin (CAS 3162-09-2) is a natural flavonoid compound under study for several practical applications in industry; it is commonly considered as an intermediate in chemical synthesis and drug development. Potential use areas include cosmetics and personal care (as an antioxidant and skin-protective ingredient), food processing (as a natural antioxidant and preservative in formulated foods), pharmaceutical research and lead-structure exploration (providing scaffolds for medicinal chemistry), and coatings/inks or polymer materials (as a stabilizer or antioxidant additive in coatings and plastics). Commercial use and formulation are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.88
    methanol 1.19
    isopropanol 0.88
    water 0.0
    ethyl acetate 0.95
    n-propanol 1.38
    acetone 2.35
    n-butanol 0.94
    acetonitrile 1.47
    DMF 57.23
    toluene 0.09
    isobutanol 0.82
    1,4-dioxane 7.29
    methyl acetate 2.84
    THF 28.24
    2-butanone 3.23
    n-pentanol 1.15
    sec-butanol 0.91
    n-hexane 0.0
    ethylene glycol 8.01
    NMP 62.93
    cyclohexane 0.0
    DMSO 281.11
    n-butyl acetate 1.69
    n-octanol 0.71
    chloroform 0.1
    n-propyl acetate 2.15
    acetic acid 10.56
    dichloromethane 0.12
    cyclohexanone 4.8
    propylene glycol 21.96
    isopropyl acetate 0.87
    DMAc 58.05
    2-ethoxyethanol 22.17
    isopentanol 0.93
    n-heptane 0.01
    ethyl formate 1.48
    1,2-dichloroethane 0.23
    n-hexanol 0.55
    2-methoxyethanol 53.94
    isobutyl acetate 1.56
    tetrachloromethane 0.01
    n-pentyl acetate 1.96
    transcutol 194.03
    n-heptanol 0.73
    ethylbenzene 0.07
    MIBK 1.21
    2-propoxyethanol 25.36
    tert-butanol 1.52
    MTBE 0.44
    2-butoxyethanol 13.43
    propionic acid 5.4
    o-xylene 0.07
    formic acid 8.66
    diethyl ether 0.21
    m-xylene 0.08
    p-xylene 0.14
    chlorobenzene 0.14
    dimethyl carbonate 3.74
    n-octane 0.01
    formamide 16.12
    cyclopentanone 18.44
    2-pentanone 1.49
    anisole 1.04
    cyclopentyl methyl ether 1.39
    gamma-butyrolactone 34.1
    1-methoxy-2-propanol 40.16
    pyridine 3.5
    3-pentanone 0.94
    furfural 24.59
    n-dodecane 0.01
    diethylene glycol 45.6
    diisopropyl ether 0.07
    tert-amyl alcohol 1.22
    acetylacetone 6.03
    n-hexadecane 0.01
    acetophenone 2.39
    methyl propionate 2.69
    isopentyl acetate 2.12
    trichloroethylene 0.72
    n-nonanol 0.85
    cyclohexanol 0.73
    benzyl alcohol 2.23
    2-ethylhexanol 0.44
    isooctanol 0.71
    dipropyl ether 0.67
    1,2-dichlorobenzene 0.18
    ethyl lactate 6.27
    propylene carbonate 7.52
    n-methylformamide 16.05
    2-pentanol 0.43
    n-pentane 0.0
    1-propoxy-2-propanol 17.94
    1-methoxy-2-propyl acetate 10.65
    2-(2-methoxypropoxy) propanol 26.54
    mesitylene 0.06
    ε-caprolactone 7.56
    p-cymene 0.13
    epichlorohydrin 22.38
    1,1,1-trichloroethane 0.11
    2-aminoethanol 10.36
    morpholine-4-carbaldehyde 78.64
    sulfolane 123.28
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 3.32
    n-hexyl acetate 2.69
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 40.46
    sec-butyl acetate 1.1
    tert-butyl acetate 1.95
    decalin 0.01
    glycerin 78.39
    diglyme 66.3
    acrylic acid 10.06
    isopropyl myristate 1.11
    n-butyric acid 3.46
    acetyl acetate 1.16
    di(2-ethylhexyl) phthalate 2.75
    ethyl propionate 1.47
    nitromethane 37.62
    1,2-diethoxyethane 7.69
    benzonitrile 1.41
    trioctyl phosphate 1.56
    1-bromopropane 0.06
    gamma-valerolactone 76.44
    n-decanol 0.63
    triethyl phosphate 1.78
    4-methyl-2-pentanol 0.42
    propionitrile 1.07
    vinylene carbonate 5.59
    1,1,2-trichlorotrifluoroethane 39.32
    DMS 5.34
    cumene 0.07
    2-octanol 0.41
    2-hexanone 2.31
    octyl acetate 1.66
    limonene 0.13
    1,2-dimethoxyethane 23.52
    ethyl orthosilicate 1.5
    tributyl phosphate 2.26
    diacetone alcohol 12.83
    N,N-dimethylaniline 0.83
    acrylonitrile 3.37
    aniline 0.71
    1,3-propanediol 12.34
    bromobenzene 0.08
    dibromomethane 0.05
    1,1,2,2-tetrachloroethane 0.83
    2-methyl-cyclohexyl acetate 2.58
    tetrabutyl urea 4.05
    diisobutyl methanol 0.47
    2-phenylethanol 1.89
    styrene 0.09
    dioctyl adipate 3.7
    dimethyl sulfate 14.61
    ethyl butyrate 1.64
    methyl lactate 15.25
    butyl lactate 7.73
    diethyl carbonate 1.27
    propanediol butyl ether 26.51
    triethyl orthoformate 2.47
    p-tert-butyltoluene 0.14
    methyl 4-tert-butylbenzoate 6.65
    morpholine 15.68
    tert-butylamine 0.24
    n-dodecanol 0.43
    dimethoxymethane 13.87
    ethylene carbonate 3.53
    cyrene 30.11
    2-ethoxyethyl acetate 8.41
    2-ethylhexyl acetate 1.36
    1,2,4-trichlorobenzene 0.51
    4-methylpyridine 1.91
    dibutyl ether 0.82
    2,6-dimethyl-4-heptanol 0.47
    DEF 3.97
    dimethyl isosorbide 49.31
    tetrachloroethylene 0.23
    eugenol 10.21
    triacetin 10.8
    span 80 15.21
    1,4-butanediol 4.79
    1,1-dichloroethane 0.08
    2-methyl-1-pentanol 1.05
    methyl formate 10.3
    2-methyl-1-butanol 0.88
    n-decane 0.01
    butyronitrile 0.73
    3,7-dimethyl-1-octanol 0.85
    1-chlorooctane 0.09
    1-chlorotetradecane 0.05
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 2.18
    tetrahydropyran 1.2
    tert-amyl methyl ether 0.49
    2,5,8-trioxanonane 47.5
    1-hexene 0.04
    2-isopropoxyethanol 11.14
    2,2,2-trifluoroethanol 3.52
    methyl butyrate 2.55

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction